6,6-bis(phenylsulfanyl)hex-5-en-3-yl ethanoate

Systemtic Name: 6,6-bis(phenylsulfanyl)hex-5-en-3-yl ethanoate Openeye Name: [1-ethyl-4,4-bis(phenylsulfanyl)but-3-enyl] acetate CAS Name: acetic acid 6,6-bis(phenylthio)hex-5-en-3-yl ester IUPAC Name: 6,6-bis(phenylsulfanyl)hex-5-en-3-yl acetate Traditional Name: acetic acid [1-ethyl-4,4-bis(phenylthio)but-3-enyl] ester Formula: C20H22O2S2 MolecularWeight: 358.51748

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CC=C(SC1=CC=CC=C1)SC2=CC=CC=C2)OC(=O)C

Isomeric SMILES

CCC(CC=C(SC1=CC=CC=C1)SC2=CC=CC=C2)OC(=O)C

InChI

InChI=1S/C20H22O2S2/c1-3-17(22-16(2)21)14-15-20(23-18-10-6-4-7-11-18)24-19-12-8-5-9-13-19/h4-13,15,17H,3,14H2,1-2H3